UCSF

ZINC41721414

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 5.37 -96.63 5 3 2 54 243.354 2
Hi High (pH 8-9.5) 2.96 4.94 -54.02 4 3 1 53 242.346 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )